1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

C15H21N3O4 — CID 4779671

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
SMILESCc1ccc(OCC(=O)N2C(C)CCCC2C)c([N+](=O)[O-])n1
InChIInChI=1S/C15H21N3O4/c1-10-7-8-13(15(16-10)18(20)21)22-9-14(19)17-11(2)5-4-6-12(17)3/h7-8,11-12H,4-6,9H2,1-3H3
InChIKeyOXMLUHIPVULNRE-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.47
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone (PubChem CID 4779671) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
PubChem CID4779671
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
SMILESCc1ccc(OCC(=O)N2C(C)CCCC2C)c([N+](=O)[O-])n1
InChIInChI=1S/C15H21N3O4/c1-10-7-8-13(15(16-10)18(20)21)22-9-14(19)17-11(2)5-4-6-12(17)3/h7-8,11-12H,4-6,9H2,1-3H3
InChIKeyOXMLUHIPVULNRE-UHFFFAOYSA-N
XLogP2.47
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Benzylpiperidin-1-yl)-2-(2-nitropyridin-3-yl)oxyethanone
CID 3300095
2-[(6-Methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 3507387
N-(4-fluorophenyl)-2-(2-nitropyridin-3-yl)oxyacetamide
CID 3890773
1-(2,6-Dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 4044166
N-(4-chlorophenyl)-2-(6-methyl-2-nitropyridin-3-yl)oxyacetamide
CID 4817106
N-(4-fluorophenyl)-2-(6-methyl-2-nitropyridin-3-yl)oxypropanamide
CID 4817377
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 4817556
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 4818076
N-[2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 5694222
N,N-diethyl-2-(6-methyl-2-nitropyridin-3-yl)oxy-2-phenylacetamide
CID 16307056
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3274819
N-benzyl-N-tert-butyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 3395065

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone (CID 4779671) is 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone is Cc1ccc(OCC(=O)N2C(C)CCCC2C)c([N+](=O)[O-])n1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone?
The InChIKey is OXMLUHIPVULNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-7-8-13(15(16-10)18(20)21)22-9-14(19)17-11(2)5-4-6-12(17)3/h7-8,11-12H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone has a molecular weight of 307.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone is sourced from PubChem (CID 4779671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).